4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-3-fluoranyl-benzoic acid

Systemtic Name: 4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-3-fluoranyl-benzoic acid Openeye Name: 4-[2-cyanoethyl(3-pyridylmethyl)amino]-3-fluoro-benzoic acid CAS Name: 4-[2-cyanoethyl(3-pyridinylmethyl)amino]-3-fluorobenzoic acid IUPAC Name: 4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-3-fluorobenzoic acid Traditional Name: 4-[2-cyanoethyl(3-pyridylmethyl)amino]-3-fluoro-benzoic acid Formula: C16H14FN3O2 MolecularWeight: 299.299663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C2=C(C=C(C=C2)C(=O)O)F

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C2=C(C=C(C=C2)C(=O)O)F

InChI

InChI=1S/C16H14FN3O2/c17-14-9-13(16(21)22)4-5-15(14)20(8-2-6-18)11-12-3-1-7-19-10-12/h1,3-5,7,9-10H,2,8,11H2,(H,21,22)